| SpectraBase Compound ID | D04NCWHIZAb |
|---|---|
| InChI | InChI=1S/C4H8Br2S/c5-1-3-7-4-2-6/h1-4H2 |
| InChIKey | YYWACUFAVLSCPF-UHFFFAOYSA-N |
| Mol Weight | 247.98 g/mol |
| Molecular Formula | C4H8Br2S |
| Exact Mass | 245.871347 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L83skgZ5YCn |
|---|---|
| Name | di(2-Bromoethyl) sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.871347432 u |
| Formula | C4H8Br2S |
| InChI | InChI=1S/C4H8Br2S/c5-1-3-7-4-2-6/h1-4H2 |
| InChIKey | YYWACUFAVLSCPF-UHFFFAOYSA-N |
| Molecular Weight | 247.976 g/mol |
| SMILES | C(Br)CSCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89277 |